3-oxidanyl-7-phenylsulfanyl-heptanoic acid

Systemtic Name: 3-oxidanyl-7-phenylsulfanyl-heptanoic acid Openeye Name: 3-hydroxy-7-phenylsulfanyl-heptanoic acid CAS Name: 3-hydroxy-7-(phenylthio)heptanoic acid IUPAC Name: 3-hydroxy-7-phenylsulfanylheptanoic acid Traditional Name: 3-hydroxy-7-(phenylthio)enanthic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCC(CC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCCC(CC(=O)O)O

InChI

InChI=1S/C13H18O3S/c14-11(10-13(15)16)6-4-5-9-17-12-7-2-1-3-8-12/h1-3,7-8,11,14H,4-6,9-10H2,(H,15,16)